Geometry & MOs

Info

ID:

161380

PubChem CID:

57391498

Reduced:

OC9H14 (2)

Stoich.:

AB9C14 (2)

Weight, g/mol:

556.376389

ΔHf, kcal/mol:

-112.61

Dipole, Da:

4.1

IP(EA), eV:

 -9.4(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-(3-carboxypropanoyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)C(C1=CC=C(C=C1)C)O

DOS

IR

Vibrations